[(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol

C20H32N2O2 — CID 97140954

IUPAC[(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESCC[C@]1(CO)CCCN(C2CCN(c3cccc(OC)c3)CC2)C1
InChIInChI=1S/C20H32N2O2/c1-3-20(16-23)10-5-11-22(15-20)17-8-12-21(13-9-17)18-6-4-7-19(14-18)24-2/h4,6-7,14,17,23H,3,5,8-13,15-16H2,1-2H3/t20-/m0/s1
InChIKeyGGWHNFAADMRYPR-FQEVSTJZSA-N
MW332.49 g/mol
LogP3.15
Rot. Bonds5

About [(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol

[(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol (PubChem CID 97140954) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is [(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol
PubChem CID97140954
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name[(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESCC[C@]1(CO)CCCN(C2CCN(c3cccc(OC)c3)CC2)C1
InChIInChI=1S/C20H32N2O2/c1-3-20(16-23)10-5-11-22(15-20)17-8-12-21(13-9-17)18-6-4-7-19(14-18)24-2/h4,6-7,14,17,23H,3,5,8-13,15-16H2,1-2H3/t20-/m0/s1
InChIKeyGGWHNFAADMRYPR-FQEVSTJZSA-N
XLogP3.15
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol
CID 97130641
(4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
CID 135108773
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
1-(3-methoxyphenyl)azepane
CID 57276431
3-(fluoromethyl)-1-(3-methoxyphenyl)piperidin-3-amine
CID 115042632
3,3-diethyl-1-(3-methoxyphenyl)-1,4-diazepane
CID 64945493
2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45206216
2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024701
(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 3044358
[(3S)-3-ethyl-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methanol
CID 97129799
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
(6S)-2-amino-6-[3-ethyl-1-(3-methoxyphenyl)piperidin-3-yl]-3-methyl-1,3-diazinan-4-one
CID 147782520

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol (CID 97140954) is [(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol is CC[C@]1(CO)CCCN(C2CCN(c3cccc(OC)c3)CC2)C1.
What is the InChIKey of [(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is GGWHNFAADMRYPR-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-20(16-23)10-5-11-22(15-20)17-8-12-21(13-9-17)18-6-4-7-19(14-18)24-2/h4,6-7,14,17,23H,3,5,8-13,15-16H2,1-2H3/t20-/m0/s1.
What are the key properties of [(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol?
[(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 332.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethyl-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 97140954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).